EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H7N5O6S |
| Net Charge | 0 |
| Average Mass | 337.273 |
| Monoisotopic Mass | 337.01170 |
| SMILES | O=C1NC(=S)NC(=O)C1=NNc1cc2c(cc1[N+](=O)[O-])OCO2 |
| InChI | InChI=1S/C11H7N5O6S/c17-9-8(10(18)13-11(23)12-9)15-14-4-1-6-7(22-3-21-6)2-5(4)16(19)20/h1-2,14H,3H2,(H2,12,13,17,18,23) |
| InChIKey | CHSPZGXRMZCTKO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(6-nitro-1,3-benzodioxol-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CHEBI:114429) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25890 | LINCS |